7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one

C20H20O2Si — CID 11659761

IUPAC7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one
SMILESCC1=C2CO[Si](c3ccccc3)(c3ccccc3)CC2CC1=O
InChIInChI=1S/C20H20O2Si/c1-15-19-13-22-23(14-16(19)12-20(15)21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-14H2,1H3
InChIKeyLQABTUZJNCMVBY-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.68
Rot. Bonds2

About 7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one

7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one (PubChem CID 11659761) has the molecular formula C20H20O2Si and a molecular weight of 320.46 g/mol. Its IUPAC name is 7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one.

Molecular Properties

Compound Name7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one
PubChem CID11659761
Molecular FormulaC20H20O2Si
Molecular Weight320.46 g/mol
Exact Mass320.12
IUPAC Name7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one
SMILESCC1=C2CO[Si](c3ccccc3)(c3ccccc3)CC2CC1=O
InChIInChI=1S/C20H20O2Si/c1-15-19-13-22-23(14-16(19)12-20(15)21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-14H2,1H3
InChIKeyLQABTUZJNCMVBY-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one?
The IUPAC name of 7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one (CID 11659761) is 7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one.
What is the SMILES notation for 7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one?
The canonical SMILES for 7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one is CC1=C2CO[Si](c3ccccc3)(c3ccccc3)CC2CC1=O.
What is the InChIKey of 7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one?
The InChIKey is LQABTUZJNCMVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2Si/c1-15-19-13-22-23(14-16(19)12-20(15)21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-14H2,1H3.
What are the key properties of 7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one?
7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one has a molecular weight of 320.46 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,3-diphenyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one is sourced from PubChem (CID 11659761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).